tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane

C22H40OSi — CID 134979902

IUPACtert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
SMILESCC/C=C/C=C/C=C\C=C\CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h8-15H,7,16-21H2,1-6H3/b9-8+,11-10+,13-12-,15-14+
InChIKeyQYLWYEAFZWNRJU-NJJTTXNHSA-N
MW348.65 g/mol
LogP7.59
Rot. Bonds12

About tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane

tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane (PubChem CID 134979902) has the molecular formula C22H40OSi and a molecular weight of 348.65 g/mol. Its IUPAC name is tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
PubChem CID134979902
Molecular FormulaC22H40OSi
Molecular Weight348.65 g/mol
Exact Mass348.28
IUPAC Nametert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
SMILESCC/C=C/C=C/C=C\C=C\CCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h8-15H,7,16-21H2,1-6H3/b9-8+,11-10+,13-12-,15-14+
InChIKeyQYLWYEAFZWNRJU-NJJTTXNHSA-N
XLogP7.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.65
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane with MolForge

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Triethylsilyloxyundec-10-ene
CID 568575
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane
CID 14521703
tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
Linoleyl alcohol tms ether
CID 15635192
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
11-(Dimethyldodecylsilyloxy)undec-1-ene
CID 531763
cis-9-octadecenol, tBDMS
CID 6430273
Silane, dimethyl(dec-4-enyloxy)heptyloxy-
CID 91694498

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane (CID 134979902) is tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane is CC/C=C/C=C/C=C\C=C\CCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane?
The InChIKey is QYLWYEAFZWNRJU-NJJTTXNHSA-N. The full InChI is InChI=1S/C22H40OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h8-15H,7,16-21H2,1-6H3/b9-8+,11-10+,13-12-,15-14+.
What are the key properties of tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane?
tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane has a molecular weight of 348.65 g/mol, XLogP of 7.59, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7E,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 134979902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).